Details of the Drug

General Information of Drug (ID: DMUQLRN)

Drug Name

H-Tyr-Pro-Phe-Phe-OH

Synonyms

CHEMBL589982; 213768-49-1; H-Tyr-Pro-Phe-Phe-OH; CTK0J7647; DTXSID40649492; BDBM50308384; AKOS030610604; L-Tyrosyl-L-prolyl-L-phenylalanyl-L-phenylalanine; L-Phenylalanine, L-tyrosyl-L-prolyl-L-phenylalanyl-

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 2

Molecular Weight (mw)

572.7

Logarithm of the Partition Coefficient (xlogp)

0.6

Rotatable Bond Count (rotbonds)

12

Hydrogen Bond Donor Count (hbonddonor)

5

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C32H36N4O6
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
Canonical SMILES: C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=C(C=C2)O)N)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O
InChI: InChI=1S/C32H36N4O6/c33-25(18-23-13-15-24(37)16-14-23)31(40)36-17-7-12-28(36)30(39)34-26(19-21-8-3-1-4-9-21)29(38)35-27(32(41)42)20-22-10-5-2-6-11-22/h1-6,8-11,13-16,25-28,37H,7,12,17-20,33H2,(H,34,39)(H,35,38)(H,41,42)/t25-,26-,27-,28-/m0/s1
InChIKey: SDJCVHZDMZOUDX-LJWNLINESA-N